N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

C13H22N4OS — CID 6412044

IUPACN-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)NC(C)(C)C)nc1CC
InChIInChI=1S/C13H22N4OS/c1-6-9-10(7-2)16-17-12(14-9)19-8-11(18)15-13(3,4)5/h6-8H2,1-5H3,(H,15,18)
InChIKeyPPINXQINECIGLW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.00
Rot. Bonds5

About N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 6412044) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID6412044
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)NC(C)(C)C)nc1CC
InChIInChI=1S/C13H22N4OS/c1-6-9-10(7-2)16-17-12(14-9)19-8-11(18)15-13(3,4)5/h6-8H2,1-5H3,(H,15,18)
InChIKeyPPINXQINECIGLW-UHFFFAOYSA-N
XLogP2.00
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362757
N-cyclohexyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 3238547
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6411103
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6404306
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
CID 47110965
N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide
CID 576255
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362793
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 51215019
N-tert-butyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 575336
N-tert-butyl-2-[[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
CID 23854335
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 46554866
N-tert-butyl-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288734

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 6412044) is N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is CCc1nnc(SCC(=O)NC(C)(C)C)nc1CC.
What is the InChIKey of N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is PPINXQINECIGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-6-9-10(7-2)16-17-12(14-9)19-8-11(18)15-13(3,4)5/h6-8H2,1-5H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6412044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).